hgpu.org » GeForce RTX 2080 Ti
NNP/MM: Fast molecular dynamics simulations with machine learning potentials and molecular mechanics
Raimondas Galvelis, Alejandro Varela-Rial, Stefan Doerr, Roberto Fino, Peter Eastman, Thomas E. Markland, John D. Chodera, Gianni De Fabritiis
Tags: Biology, Chemistry, CUDA, GeForce RTX 2080 Ti, Machine learning, Molecular dynamics, Molecular simulation, Neural networks, nVidia, Package
January 23, 2022 by hgpu
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